2-thiophen-2-yl-1,3-dioxolane

C7H8O2S — CID 3653561

IUPAC2-thiophen-2-yl-1,3-dioxolane
SMILESc1csc(C2OCCO2)c1
InChIInChI=1S/C7H8O2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-2,5,7H,3-4H2
InChIKeyFHPFDCRNWLVVHD-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.79
Rot. Bonds1

About 2-thiophen-2-yl-1,3-dioxolane

2-thiophen-2-yl-1,3-dioxolane (PubChem CID 3653561) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-dioxolane
PubChem CID3653561
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-thiophen-2-yl-1,3-dioxolane
SMILESc1csc(C2OCCO2)c1
InChIInChI=1S/C7H8O2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-2,5,7H,3-4H2
InChIKeyFHPFDCRNWLVVHD-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,3-dioxolane?
The IUPAC name of 2-thiophen-2-yl-1,3-dioxolane (CID 3653561) is 2-thiophen-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-thiophen-2-yl-1,3-dioxolane?
The canonical SMILES for 2-thiophen-2-yl-1,3-dioxolane is c1csc(C2OCCO2)c1.
What is the InChIKey of 2-thiophen-2-yl-1,3-dioxolane?
The InChIKey is FHPFDCRNWLVVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-2,5,7H,3-4H2.
What are the key properties of 2-thiophen-2-yl-1,3-dioxolane?
2-thiophen-2-yl-1,3-dioxolane has a molecular weight of 156.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,3-dioxolane is sourced from PubChem (CID 3653561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).